Changeset ce7fdc for src/World.hpp
- Timestamp:
- Oct 13, 2011, 1:03:40 PM (13 years ago)
- Branches:
- Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable
- Children:
- 61ff05, db67ea
- Parents:
- e0f8c8
- git-author:
- Frederik Heber <heber@…> (09/09/11 18:42:38)
- git-committer:
- Frederik Heber <heber@…> (10/13/11 13:03:40)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
src/World.hpp
re0f8c8 rce7fdc 37 37 class AtomDescriptor; 38 38 class AtomDescriptor_impl; 39 template<typename T> class AtomsCalculation;40 39 class BondGraph; 41 40 class Box; 42 41 class config; 43 class ManipulateAtomsProcess;44 42 class RealSpaceMatrix; 45 43 class molecule; … … 50 48 class ThermoStatContainer; 51 49 50 namespace MoleCuilder { 51 class ManipulateAtomsProcess; 52 template<typename T> class AtomsCalculation; 53 } 52 54 53 55 /****************************************** forward declarations *****************************/ … … 79 81 80 82 // Actions, calculations etc associated with the World 81 friend class M anipulateAtomsProcess;82 template<typename> friend class AtomsCalculation;83 friend class MoleCuilder::ManipulateAtomsProcess; 84 template<typename> friend class MoleCuilder::AtomsCalculation; 83 85 public: 84 86 // some typedefs for the CONSTRUCT_... macros (no "," allows in a single parameter name) … … 156 158 * menus, be kept around for later use etc. 157 159 */ 158 template<typename T> AtomsCalculation<T>* calcOnAtoms(boost::function<T(atom*)>,constActionTraits &_trait,AtomDescriptor);159 template<typename T> AtomsCalculation<T>* calcOnAtoms(boost::function<T(atom*)>,constActionTraits &_trait);160 template<typename T> MoleCuilder::AtomsCalculation<T>* calcOnAtoms(boost::function<T(atom*)>,const MoleCuilder::ActionTraits &_trait,AtomDescriptor); 161 template<typename T> MoleCuilder::AtomsCalculation<T>* calcOnAtoms(boost::function<T(atom*)>,const MoleCuilder::ActionTraits &_trait); 160 162 161 163 /** … … 285 287 * called at this time, so it can be passed around, stored inside menuItems etc. 286 288 */ 287 M anipulateAtomsProcess* manipulateAtoms(boost::function<void(atom*)>,std::string,AtomDescriptor);288 M anipulateAtomsProcess* manipulateAtoms(boost::function<void(atom*)>,std::string);289 MoleCuilder::ManipulateAtomsProcess* manipulateAtoms(boost::function<void(atom*)>,std::string,AtomDescriptor); 290 MoleCuilder::ManipulateAtomsProcess* manipulateAtoms(boost::function<void(atom*)>,std::string); 289 291 290 292 /**** … … 411 413 412 414 /******* Internal manipulation routines for double callback and Observer mechanism ******/ 413 void doManipulate(M anipulateAtomsProcess *);415 void doManipulate(MoleCuilder::ManipulateAtomsProcess *); 414 416 415 417 private:
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